[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-2-3-6-12-26-21(28)18-11-5-4-10-17(18)20(25-26)22(29)30-14-19(27)24-16-9-7-8-15(23)13-16/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,24,27)